3-Acetamidobenzenesulfonyl Chloride - CAS 23905-46-6

Catalog:	BB018234
Product Name:	3-Acetamidobenzenesulfonyl Chloride
CAS:	23905-46-6
Synonyms:	3-acetamidobenzenesulfonyl chloride; 3-acetamidobenzenesulfonyl chloride

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Computed Properties

IUPAC Name:	3-acetamidobenzenesulfonyl chloride
Description:	3-Acetamidobenzenesulfonyl Chloride (CAS# 23905-46-6) is a useful research chemical.
Molecular Weight:	233.67
Molecular Formula:	C8H8ClNO3S
Canonical SMILES:	CC(=O)NC1=CC(=CC=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C8H8ClNO3S/c1-6(11)10-7-3-2-4-8(5-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChI Key:	BSNCGXHXSOEIEZ-UHFFFAOYSA-N
Boiling Point:	437.1 °C at 760 mmHg
Density:	1.468 g/cm³
Appearance:	Solid
MDL:	MFCD02222873
LogP:	2.72630

Publication Number	Title	Priority Date
KR-20210057680-A	Novel quinoline compounds and uses thereof	20191111
WO-2021096335-A1	Novel quinoline compound and use thereof	20191111
US-2019382365-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601
WO-2019232384-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601
EP-3802514-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.9913420
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.9913420
Rotatable Bond Count:	2
Topological Polar Surface Area:	71.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2